5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H24N6O — CID 46973864

IUPAC5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(CC(C)n3nc(C)nc3C)nc2c1-c1ccccc1
InChIInChI=1S/C21H24N6O/c1-5-18-20(16-9-7-6-8-10-16)21-23-17(12-19(28)27(21)25-18)11-13(2)26-15(4)22-14(3)24-26/h6-10,12-13,25H,5,11H2,1-4H3
InChIKeyHWIBZPNAXBKTMF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.26
Rot. Bonds5

About 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973864) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973864
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(CC(C)n3nc(C)nc3C)nc2c1-c1ccccc1
InChIInChI=1S/C21H24N6O/c1-5-18-20(16-9-7-6-8-10-16)21-23-17(12-19(28)27(21)25-18)11-13(2)26-15(4)22-14(3)24-26/h6-10,12-13,25H,5,11H2,1-4H3
InChIKeyHWIBZPNAXBKTMF-UHFFFAOYSA-N
XLogP3.26
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133033
2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92588424
2,5-diethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 19975843
2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973795
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10514153
2-chloro-5-(chloromethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974644
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168379
ethyl 2-(7-oxo-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
CID 2242396
5-(phenoxymethyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140798
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4898037
5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606577
2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606545

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973864) is 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(CC(C)n3nc(C)nc3C)nc2c1-c1ccccc1.
What is the InChIKey of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HWIBZPNAXBKTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-5-18-20(16-9-7-6-8-10-16)21-23-17(12-19(28)27(21)25-18)11-13(2)26-15(4)22-14(3)24-26/h6-10,12-13,25H,5,11H2,1-4H3.
What are the key properties of 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 376.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).